(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide

C14H16F3NO — CID 144747270

IUPAC(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCC(F)(F)F)c(C)/c1=C/CC
InChIInChI=1S/C14H16F3NO/c1-4-5-11-9(2)6-7-12(10(11)3)13(19)18-8-14(15,16)17/h5-7H,2,4,8H2,1,3H3,(H,18,19)/b11-5+
InChIKeyMVBHMAKNVIXXNC-VZUCSPMQSA-N
MW271.28 g/mol
LogP1.89
Rot. Bonds3

About (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide

(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747270) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747270
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCC(F)(F)F)c(C)/c1=C/CC
InChIInChI=1S/C14H16F3NO/c1-4-5-11-9(2)6-7-12(10(11)3)13(19)18-8-14(15,16)17/h5-7H,2,4,8H2,1,3H3,(H,18,19)/b11-5+
InChIKeyMVBHMAKNVIXXNC-VZUCSPMQSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-difluoro-3-(fluoromethyl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
CID 53931571
11,11-difluoro-3-methyl-N-(2-methylpropyl)undeca-2,4,10-trienamide
CID 53959963
11,11-difluoro-N-(2-methylpropyl)undeca-2,4,10-trienamide
CID 57078252
3,5-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 67612989
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2,2-trifluoroacetamide
CID 88406802
(2E,4E)-2-ethenyl-5-methyl-N-(2,2,2-trifluoroethyl)hepta-2,4-dienamide
CID 88889292
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
4-ethenyl-3-[(Z)-3-fluoroprop-1-enyl]-1,2-dihydropyrrol-5-one
CID 89344172
5-Ethyl-3-(trifluoromethyl)pyridin-2-ol
CID 90227876
5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 119086696
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
N-[4-[difluoro-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]cyclohexa-2,4-dien-1-yl]-2-(fluoromethyl)hept-2-enamide
CID 123372701

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide (CID 144747270) is (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCC(F)(F)F)c(C)/c1=C/CC.
What is the InChIKey of (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is MVBHMAKNVIXXNC-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-4-5-11-9(2)6-7-12(10(11)3)13(19)18-8-14(15,16)17/h5-7H,2,4,8H2,1,3H3,(H,18,19)/b11-5+.
What are the key properties of (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide?
(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).